N-(1-adamantylcarbamoyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[[5-(4-ethylphenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H29N5O2S MolecularWeight: 439.57366

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H29N5O2S/c1-2-14-3-5-18(6-4-14)20-25-22(28-27-20)31-13-19(29)24-21(30)26-23-10-15-7-16(11-23)9-17(8-15)12-23/h3-6,15-17H,2,7-13H2,1H3,(H,25,27,28)(H2,24,26,29,30)